CID 57886

2-carboxydiphenylarsinous acid

Structural Information

Molecular Formula
C13H11AsO3
SMILES
C1=CC=C(C=C1)[As](C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C13H11AsO3/c15-13(16)11-8-4-5-9-12(11)14(17)10-6-2-1-3-7-10/h1-9,17H,(H,15,16)
InChIKey
QBRSUPRMRFUFFG-UHFFFAOYSA-N
Compound name
2-[hydroxy(phenyl)arsanyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99968 160.5
[M+Na]+ 312.98162 166.3
[M-H]- 288.98512 164.1
[M+NH4]+ 308.02622 176.0
[M+K]+ 328.95556 162.5
[M+H-H2O]+ 272.98966 153.1
[M+HCOO]- 334.99060 180.1
[M+CH3COO]- 349.00625 187.3
[M+Na-2H]- 310.96707 163.4
[M]+ 289.99185 158.6
[M]- 289.99295 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.